SCHEMBL8092371

SCHEMBL8092371

C=CCOc1ccc(-c2ccc(C(=O)N(N)C(=O)c3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
ERN1 O75460 2/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNA4 P43681 4/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7323803 0.89 MAPT (0.60) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL542658 0.85 MAPT (0.66) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL7317153 0.83 MAPT (0.55) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL8949705 0.81 MAPT (0.60) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL7323088 0.79 NR1H4 (0.50) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL9288915 0.77 ADRB2 (0.55) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL10580680 0.76 MAPT (0.51) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL10580996 0.76 MAPT (0.51) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL10580343 0.76 MAPT (0.51) MAPTADRB2ADRB1ADRB3RAB9A
SCHEMBL12379814 0.76 MAPT (0.51) MAPTADRB2ADRB1ADRB3RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed